Home Halogens (2S,3R,4R,5S,6R)-2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS No.:
655237-65-3
Catalog Number:
AG01B6KN
Molecular Formula:
C12H15BrO5
Molecular Weight:
319.1485
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Product Description
Catalog Number:
AG01B6KN
Chemical Name:
(2S,3R,4R,5S,6R)-2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Number:
655237-65-3
Molecular Formula:
C12H15BrO5
Molecular Weight:
319.1485
MDL Number:
MFCD30344928
IUPAC Name:
2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C12H15BrO5/c13-7-3-1-2-6(4-7)12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5H2
InChI Key:
ZDXIADNHCPCQET-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H](c2cccc(c2)Br)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.01g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
319.151g/mol
Monoisotopic Mass:
318.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties